4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine

C12H17F3N4 — CID 79176141

IUPAC4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(N2CCN(CC(F)(F)F)CC2)ncc1N
InChIInChI=1S/C12H17F3N4/c1-9-6-11(17-7-10(9)16)19-4-2-18(3-5-19)8-12(13,14)15/h6-7H,2-5,8,16H2,1H3
InChIKeyZZZYORWCUCAHEJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.66
Rot. Bonds2

About 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine

4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 79176141) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
PubChem CID79176141
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(N2CCN(CC(F)(F)F)CC2)ncc1N
InChIInChI=1S/C12H17F3N4/c1-9-6-11(17-7-10(9)16)19-4-2-18(3-5-19)8-12(13,14)15/h6-7H,2-5,8,16H2,1H3
InChIKeyZZZYORWCUCAHEJ-UHFFFAOYSA-N
XLogP1.66
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine (CID 79176141) is 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine is Cc1cc(N2CCN(CC(F)(F)F)CC2)ncc1N.
What is the InChIKey of 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is ZZZYORWCUCAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-9-6-11(17-7-10(9)16)19-4-2-18(3-5-19)8-12(13,14)15/h6-7H,2-5,8,16H2,1H3.
What are the key properties of 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 79176141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).